Glycoside
GD009774
Name:
PAEONIN AFormula:
C17H24O9Smiles:
COCC1=CO[C@]2(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C[C@H]1C(=O)C=C2CAglycone:
COCC1=COC2(O)CC1C(=O)C=C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 372.37 | Num_heavy_atoms: | 26 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD07636
Formula: C11H14O4
Smiles:
COCC1=COC2(O)CC1C(=O)C=C2C| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
